4-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-chlorophenyl)sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(4-chlorophenyl)thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[2-[(4-chlorophenyl)thio]anilino]-4-keto-butyric acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO3S/c17-11-5-7-12(8-6-11)22-14-4-2-1-3-13(14)18-15(19)9-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)